Summary

IMPPAT Phytochemical identifier: IMPHY001177

Phytochemical name: Pseudolycorine

Synonymous chemical names:
pseudolycorinc, pseudolycorine, psi-lycorine

External chemical identifiers:
CID:443689, ChEMBL:CHEMBL586091, ChEBI:32074, SureChEMBL:SCHEMBL20455707, MolPort-044-754-200

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Chemical structure information

SMILES:
COc1cc2CN3CCC4=C[C@@H]([C@H]([C@@H](c2cc1O)[C@H]34)O)O

InChI:
InChI=1S/C16H19NO4/c1-21-13-5-9-7-17-3-2-8-4-12(19)16(20)14(15(8)17)10(9)6-11(13)18/h4-6,12,14-16,18-20H,2-3,7H2,1H3/t12-,14-,15+,16+/m0/s1

InChIKey:
CKAHWDNDUGDSLE-ARLBYUKCSA-N

DeepSMILES:
COcccCNCCC=C[C@@H][C@H][C@@H]c%11cc%15O))))[C@H]96))O))O

Functional groups:
CC(C)=CC, CN(C)C, CO, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCN3Cc4ccccc4C(CC1)C23

Scaffold Graph/Node level:
C1CCC2C(C1)CN1CCC3CCCC2C31

Scaffold Graph level:
C1CCC2C(C1)CC1CCC3CCCC2C31

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Benzoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids, Tyrosine alkaloids

NP Classifier Class: Amarylidaceae alkaloids, Indolizidine alkaloids

NP-Likeness score: 2.484

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Chemical structure download